5-Amino-3-(4-chlorophenyl)isoxazole-4-carbonitrile CAS 98949-16-7
| CAS No. | 98949-16-7 |
| Molecular Formula | C10H6ClN3O |
| Molecular Weight | 219.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Amino-3-(4-chlorophenyl)isoxazole-4-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-Amino-3-(4-chlorophenyl)isoxazole-4-carbonitrile (CAS 98949-16-7), molecular formula C10H6ClN3O and molecular weight 219.63 g/mol, is a CATO reference standard with documented purity and traceability.
5-Amino-3-(4-chlorophenyl)isoxazole-4-carbonitrile (C10H6ClN3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 5-Amino-3-(4-chlorophenyl)isoxazole-4-carbonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C10H6ClN3O |
| Molecular Weight | 219.63 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Amino Standards
- 5-Amino-1-(5-chloropyridin-2-yl)-1H-pyrazole-4-carbonitrile (CAS 1176567-03-5)
- 5-Amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile (CAS 98592-51-9)
- 5-Amino-1-(6-chloropyridin-2-yl)-1H-pyrazole-4-carbonitrile (CAS 400084-55-1)
- 5-Amino-3-(3-chlorophenyl)isoxazole-4-carbonitrile (CAS 938226-53-0)
- 2-Amino-1-(4-chloro-3-fluorophenyl)propane-1,3-diol (CAS 1496196-31-6)
- 2'-Amino-3'-chloro-[1,1'-biphenyl]-2-ol (CAS 1424386-23-1)
- Methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate (CAS 1015434-44-2)
- 2-Amino-N-((2-chlorothiazol-5-yl)methyl)-N-methylacetamide (CAS 1353947-60-0)
Recommended Standards
- 6-chloro-1-methyl-1H-[1,2,3]triazolo[4,5-h]quinazoline (CAS 2463195-74-4)
- 8-Chloro-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine (CAS 679396-29-3)
- 8-CHloro-5h-[1,2,4]triazino[5,6-b]indol-3-amine (CAS 910443-03-7)
- 4-Chloro-6-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidine (CAS 871025-07-9)
- (S)-(6-chloro-1-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)methanol (CAS 2417466-80-7)
- 6-Chloro-8-methyl-3-propylquinolin-2-amine (CAS 948293-52-5)
- (S)-2-Amino-4-methyl-N-((S)-1-phenylethyl)pentanamide (CAS 181577-18-4)
- Ethyl (3-chlorophenyl)glycinate (CAS 2573-31-1)
- 2,4-Difluorobiphenyl-3-amine (CAS 1214381-88-0)
- Folic Acid EP Impurity E Sulfate (CAS CATO-C4X-139541)
- 2-Hydroxy-N,N-dimethyl-5-(trifluoromethyl)benzamide (CAS 1243440-02-9)
- 4-Hydroxy-2,5-bis(hydroxymethyl)benzonitrile (CAS 1858250-91-5)
- 5-(4-Cyanophenyl)furan-2-carboxylic acid methyl ester (CAS 834884-75-2)
- Semaglutide Impurity 75 (CAS CATO-C4X-2226175)
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